1-cyclohexyl-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea

C17H24N2O2 — CID 71782213

IUPAC1-cyclohexyl-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea
SMILESO=C(NCC1(O)CCc2ccccc21)NC1CCCCC1
InChIInChI=1S/C17H24N2O2/c20-16(19-14-7-2-1-3-8-14)18-12-17(21)11-10-13-6-4-5-9-15(13)17/h4-6,9,14,21H,1-3,7-8,10-12H2,(H2,18,19,20)
InChIKeyWRQHFFLGELRJHA-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.45
Rot. Bonds3

About 1-cyclohexyl-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea

1-cyclohexyl-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea (PubChem CID 71782213) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea
PubChem CID71782213
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-cyclohexyl-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea
SMILESO=C(NCC1(O)CCc2ccccc21)NC1CCCCC1
InChIInChI=1S/C17H24N2O2/c20-16(19-14-7-2-1-3-8-14)18-12-17(21)11-10-13-6-4-5-9-15(13)17/h4-6,9,14,21H,1-3,7-8,10-12H2,(H2,18,19,20)
InChIKeyWRQHFFLGELRJHA-UHFFFAOYSA-N
XLogP2.45
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-Phenyl-1-(piperidin-2-yl)-2,3-dihydro-1H-inden-1-ol
CID 210020
1-(3-Phenylpropyl)-3-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)urea
CID 56764259
1-(2-([1,1'-Biphenyl]-4-yl)-2-hydroxypropyl)-3-cyclohexylurea
CID 71781863
N1-cyclopentyl-N2-((1-hydroxy-2,3-dihydro-1H-inden-1-yl)methyl)oxalamide
CID 71782195
N-((1-hydroxy-2,3-dihydro-1H-inden-1-yl)methyl)cyclohex-3-enecarboxamide
CID 71796723
1-benzyl-3-((2-hydroxy-2,3-dihydro-1H-inden-2-yl)methyl)urea
CID 91631247
1-(tert-butyl)-3-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)urea
CID 91631367
N-{[(S)-1-hydroxy-1-indanyl]methyl}-2-oxo-1-imidazolidinecarboxamide
CID 99873860
1-(2-Hydroxy-2,2-diphenylethyl)-1-methyl-3-(4-phenylbutyl)urea
CID 134837299
1-Cyclohexyl-3-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)urea
CID 56764252
N-[(1R)-2-hydroxy-1-methyl-2,2-diphenylethyl]-N'-(1-methylpiperidin-4-yl)urea
CID 121500274
N-[(1R)-2-hydroxy-1-methyl-2,2-diphenylethyl]-N'-(2-methoxy-1,1-dimethylethyl)urea
CID 122565965

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea?
The IUPAC name of 1-cyclohexyl-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea (CID 71782213) is 1-cyclohexyl-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea is O=C(NCC1(O)CCc2ccccc21)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea?
The InChIKey is WRQHFFLGELRJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c20-16(19-14-7-2-1-3-8-14)18-12-17(21)11-10-13-6-4-5-9-15(13)17/h4-6,9,14,21H,1-3,7-8,10-12H2,(H2,18,19,20).
What are the key properties of 1-cyclohexyl-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea?
1-cyclohexyl-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea has a molecular weight of 288.39 g/mol, XLogP of 2.45, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea is sourced from PubChem (CID 71782213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).